SCHEMBL6080352

SCHEMBL6080352

CC(C(=O)O)=C(Nc1ccc(C(C)C)cc1Br)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.46
P2RX7 Q99572 2/20 0.46
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 3/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3983979 0.82 CA1 (0.55) P2RX4P2RX7RAB9ANPC1SMN1; SMN2
SCHEMBL15160055 0.79 P2RX4 (0.49) P2RX4P2RX7RAB9ANPC1SMN1; SMN2
SCHEMBL6588122 0.76 P2RX4 (0.45) P2RX4P2RX7RAB9ANPC1SMN1; SMN2
SCHEMBL6588125 0.76 P2RX4 (0.45) P2RX4P2RX7RAB9ANPC1SMN1; SMN2
SCHEMBL4826296 0.76 P2RX4 (0.49) P2RX4P2RX7RAB9ANPC1SMN1; SMN2
SCHEMBL17027092 0.75 P2RX4 (0.51) P2RX4P2RX7RAB9ANPC1SMN1; SMN2
SCHEMBL13516845 0.75 P2RX4 (0.48) P2RX4P2RX7RAB9ANPC1SMN1; SMN2
SCHEMBL17027052 0.74 P2RX4 (0.50) P2RX4P2RX7RAB9ANPC1SMN1; SMN2
SCHEMBL5391295 0.74 ALDH1A1 (0.49) P2RX4P2RX7RAB9ANPC1SMN1; SMN2
SCHEMBL4821297 0.71 CYP1A2 (0.55) P2RX4P2RX7RAB9ANPC1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL P2RX4 322/4885P2RX7 112/4885RAB9A 431/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.